Jing Ma

发表

Kekulé-based Valence Bond Model. I. The Ground-state Properties of Conjugated 7ü-Systems

Shuhua Li, Jing Ma, Yuansheng Jiang, 2010 .

Edge Structure Index for Evaluating the Ground State Properties of One-Dimensional Macro- to Suprabenzenoid Hydrocarbons as Examined by DMRG VB Calculations #

Hai-bo Ma, Jing Ma, Yuansheng Jiang, 2003 .

An On-the-fly Approach to Construct Generalized Energy‒Based Fragmentation Machine Learning Force Fields of Complex Systems.

Shuhua Li, Jing Ma, Zheng Cheng, 2020, The journal of physical chemistry. A.

Fragmentation-based QM/MM simulations: length dependence of chain dynamics and hydrogen bonding of polyethylene oxide and polyethylene in aqueous solutions.

Wei Li, Shuhua Li, Hui Li, 2008, The journal of physical chemistry. B.

Improved generalized energy-based fragmentation approach and its applications to the binding energies of supramolecular complexes

Shuhua Li, Jing Ma, Wei Li, 2019, Electronic Structure.

Building Congested Ketone: Substituted Hantzsch Ester and Nitrile as Alkylation Reagents in Photoredox Catalysis.

Guigen Li, Jing Ma, Jiaqi Tian, 2016, Journal of the American Chemical Society.

Selectivity control of Pd(PMe3)4-catalyzed hydrogenation of internal alkynes to E-alkenes by reaction time and water content in formic acid.

Jing Ma, Wenmin Wang, Haiyan Wei, 2019, Dalton transactions.

Heisenberg Model and Its Applications to π-Conjugated Systems

Shuhua Li, Jing Ma, Yuansheng Jiang, 2002 .

Photocatalytic nitrogen fixation under an ambient atmosphere using a porous coordination polymer with bridging dinitrogen anions

J. Zuo, Jing Ma, Bang Li, 2022, Nature Chemistry.

Generalized Energy-Based Fragmentation Approach for the Electronic Emission Spectra of Large Systems.

Jing Ma, Wei Li, K. Liao, 2022, Journal of chemical theory and computation.

Facial dissociations of water molecules on the outside and inside of armchair single-walled silicon nanotubes: theoretical predictions from multilayer quantum chemical calculations

Jing Ma, Yuansheng Jiang, Guoyong Fang, 2011 .

How intermolecular interactions influence electronic absorption spectra: insights from the molecular packing of uracil in condensed phases.

Shuhua Li, Jing Ma, Zheng Cheng, 2019, Physical chemistry chemical physics : PCCP.

A Time-Dependent DFT Study on Band Gaps and Effective Conjugation Lengths of Polyacetylene, Polyphenylene, Polypentafulvene, Polycyclopentadiene, Polypyrrole, Polyfuran, Polysilole, Polyphosphole, and Polythiophene

Jing Ma, Yuansheng Jiang, Jing Ma, 2002 .

Tuning of electronic structures of poly(p-phenylenevinylene) analogues of phenyl, thienyl, furyl, and pyrrolyl by double-bond linkages of group 14 and 15 elements.

Jing Ma, Yuansheng Jiang, Yujuan Wang, 2005, Journal of Physical Chemistry A.

Topological dependence of ferromagnetic coupling strength in some π-conjugated radicals

Shuhua Li, Jing Ma, Yuansheng Jiang, 1995 .

Electron Correlation and Magnetism: A Simple Molecular Orbital Approach for Predicting Ground-State Spins of Conjugated Hydrocarbons

Shuhua Li, Jing Ma, Yuansheng Jiang, 1997 .

Strength of Spin Coupling in High-Spin Organic Molecules

Shuhua Li, Jing Ma, Yuansheng Jiang, 1997 .

Jing Ma, Yuansheng Jiang, Shuhua Li, 2000 .

Computational and data driven molecular material design assisted by low scaling quantum mechanics calculations and machine learning

Hai-bo Ma, Shuhua Li, Jing Ma, 2021, Chemical Science.

Generalized energy-based fragmentation approach and its applications to macromolecules and molecular aggregates.

Wei Li, Shuhua Li, Shuhua Li, 2014, Accounts of chemical research.

The Valence Bond Calculations on Conjugated Hydrocarbons of Medium to Infinite Sizes

Shuhua Li, Jing Ma, Yuansheng Jiang, 2003 .

An MP2 study of linear polarizabilities and second-order hyperpolarizabilities for centrosymmetric squaraines

Jing Ma, Yuansheng Jiang, Shuhua Li, 2002 .

A Quick Estimate of the Correlation Energy for Alkanes

W. Li, Shuhua Li, Jing Ma, 2010 .

A multireference configuration interaction method based on the separated electron pair wave functions

Jing Ma, Wei Li, Shuhua Li, 2006, J. Comput. Chem..

Jing Ma, Yuansheng Jiang, Shuhua Li, 2003 .

Linear scaling local correlation approach for solving the coupled cluster equations of large systems

Jing Ma, Yuansheng Jiang, Shuhua Li, 2002, J. Comput. Chem..

Effects of silole content and doping on the electronic structures and excitation energies of silole/thiophene cooligomers

Jing Ma, Yuansheng Jiang, Guiling Zhang, 2003 .

Building quantum mechanics quality force fields of proteins with the generalized energy-based fragmentation approach and machine learning.

Shuhua Li, Jing Ma, Zheng Cheng, 2021, Physical chemistry chemical physics : PCCP.

Kekulé‐based Valence Bond Model. II. Diels‐Alder Reactivity of Polycyclic Aromatic Hydrocarbons

Shuhua Li, Jing Ma, Yuansheng Jiang, 2010 .

Ligand Effects of BrettPhos and RuPhos on Rate-Limiting Steps in Buchwald–Hartwig Amination Reaction Due to the Modulation of Steric Hindrance and Electronic Structure

Jing Ma, Jiaqi Tian, Zhenghang Qi, 2020, ACS omega.

Fidelity of Robotic Chemical Operations of Homogenous and Heterogeneous Reactions

Jing Ma, Lin Guo, Guoqiang Wang, 2021 .

Charge-doped and heteroatom-substituted polysilane, poly(vinylenedisilanylene), and poly(butadienylenedisilanylene): electronic structures and band gaps.

Yuansheng Jiang, Guiling Zhang, Jing Ma, 2005, The journal of physical chemistry. B.

Structures and Spectroscopic Properties of Large Molecules and Condensed-Phase Systems Predicted by Generalized Energy-Based Fragmentation Approach.

Shuhua Li, Jing Ma, Wei Li, 2020, Accounts of chemical research.

Accurate Prediction of NMR Chemical Shifts in Macromolecular and Condensed-Phase Systems with the Generalized Energy-Based Fragmentation Method.

Shuhua Li, Jing Ma, Wei Li, 2017, Journal of chemical theory and computation.

Can the Low-Lying Electronic States of Benzenoid Hydrocarbons Be Described by the Semiempirical Valence Bond Approach?

Shuhua Li, Jing Ma, Yuansheng Jiang, 1997 .

Effective Valence Bond Model Study on Conjugated Hydrocarbons Containing Four-Membered Rings

Shuhua Li, Jing Ma, Yuansheng Jiang, 1996 .

Borole/Thiophene Cooligomers and Copolymers with Quinoid Structures and Biradical Characters

Yuansheng Jiang, Hui Cao, Guiling Zhang, 2005 .